1-(4-fluorobenzoyl)piperidin-3-amine hydrochloride

• ChemBase ID: 34043
• Molecular Formular: C12H16ClFN2O
• Molecular Mass: 258.7196432
• Monoisotopic Mass: 258.09351904
• SMILES: N1(C(=O)c2ccc(cc2)F)CC(N)CCC1.Cl
• Canonical SMILES: NC1CCCN(C1)C(=O)c1ccc(cc1)F.Cl
• InChI: InChI=1S/C12H15FN2O.ClH/c13-10-5-3-9(4-6-10)12(16)15-7-1-2-11(14)8-15;/h3-6,11H,1-2,7-8,14H2;1H
• InChIKey: WNAQYRZKCUBBGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorobenzoyl)piperidin-3-amine hydrochloride
• IUPAC Traditional name: 1-(4-fluorobenzoyl)piperidin-3-amine hydrochloride
• Synonyms: 1-(4-Fluorobenzoyl)piperidin-3-amine hydrochloride; (3-aminopiperidin-1-yl)(4-fluorophenyl)methanone hydrochloride

Database IDs

• MDL Number: MFCD12026982
• PubChem SID: 160997350
• PubChem CID: 44120473

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.896884
• LogD (pH = 7.4): -0.8952842
• Log P: 1.082521
• Molar Refractivity: 60.3072 cm^3
• Polarizability: 22.83701 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Salt Data: HCl